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Chemical ID: 6637751
Chemical ID:
6637751
Name [?]:
2-imino-3,9-dihydropurin-6-one
SMILES [?]:
c1[nH]c2c(n1)c(=O)[nH]c(=N)[nH]2
InChi [?]:
InChI=1/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,4,3,6,9,10,5,2,11,8,7/rA:11nCNCCNCONCNN/rB:s1;s2;d3;d1s4;s4;d6;s6;s8;w9;s3s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H5N5O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.75979 |
Area: | 288.369 |
Solvation: | -2.44945 |
Coulombic: | -59.6893 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 1 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 151.126 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.28 |
LogP (Chemaxon): | -0.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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